UCSF

ZINC43447876

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 9.94 -95.09 2 4 2 35 258.406 8
Hi High (pH 8-9.5) 2.45 7.76 -38.29 1 4 1 34 257.398 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )